CID 18385179

6-chloro-1-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO2/c1-12-5-8(10(13)14)7-3-2-6(11)4-9(7)12/h2-5H,1H3,(H,13,14)
InChIKey
UMVCXQBKCZPXCR-UHFFFAOYSA-N
Compound name
6-chloro-1-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

209.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 139.8
[M+Na]+ 232.013568 152.2
[M-H]- 208.017074 142.9
[M+NH4]+ 227.058173 161.1
[M+K]+ 247.987508 147.3
[M+H-H2O]+ 192.021610 135.0
[M+HCOO]- 254.022551 158.3
[M+CH3COO]- 268.038201 182.8
[M+Na-2H]- 229.999016 144.9
[M]+ 209.02380142 144.4
[M]- 209.02489858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe